Structure Information
Structure

Compound Identification

SMILES

CCCN1C2=C(NC(=N2)C2=CC=C(OCC(=O)NCCNC(=S)NC3=CC=CC(=C3)N=C=S)C=C2)C(=O)N(CCC)C1=O

InChIKey

InChIKey=OKFOOQXOTKWKJI-UHFFFAOYSA-N

Formula

C29H32N8O4S2

Mass

620.75

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazopyrimidines

Subclass

Purines and purine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Xanthines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenylimidazole - Xanthine - 6-oxopurine - N-phenylthiourea - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Isothiocyanate - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.

External Descriptors

Not available

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